1.0 2010-04-08 22:11:22 UTC 2019-11-26 03:10:27 UTC FDB014612 Dihydrocapsenone Dihydrocapsenone is a member of the class of compounds known as eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids. Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids are sesquiterpenoids with a structure based either on the eremophilane skeleton, its 8,9-seco derivative, or the furoeremophilane skeleton. Eremophilanes have been shown to be derived from eudesmanes by migration of the methyl group at C-10 to C-5. Dihydrocapsenone is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Dihydrocapsenone can be found in a number of food items such as italian sweet red pepper, red bell pepper, orange bell pepper, and pepper (c. annuum), which makes dihydrocapsenone a potential biomarker for the consumption of these food products. [3R-(3alpha,4alpha,4abeta,6beta,8abeta)]-Octahydro-3-hydroxy-4,4a-dimethyl-6-(1-methylethenyl)-1(2H)-naphthalenone 1,3-Dithietane,2,2,4,4-tetrachloro- 2,2,4,4-Tetrachloro-1,3-dithiacyclobutane 2,2,4,4-tetrachloro-1,3-dithietane 3-Hydroxy-11-eremophilen-1-one Dihydrocapsenone Dithiophosgene C15H24O2 236.3499 236.177630012 3-hydroxy-4,4a-dimethyl-6-(prop-1-en-2-yl)-decahydronaphthalen-1-one 3-hydroxy-4,4a-dimethyl-6-(prop-1-en-2-yl)-octahydronaphthalen-1-one 109986-01-8 CC1C(O)CC(=O)C2CCC(CC12C)C(C)=C InChI=1S/C15H24O2/c1-9(2)11-5-6-12-14(17)7-13(16)10(3)15(12,4)8-11/h10-13,16H,1,5-8H2,2-4H3 SNEXDCBPEIQRSH-UHFFFAOYSA-N belongs to the class of organic compounds known as eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids. These are sesquiterpenoids with a structure based either on the eremophilane skeleton, its 8,9-seco derivative, or the furoeremophilane skeleton. Eremophilanes have been shown to be derived from eudesmanes by migration of the methyl group at C-10 to C-5. Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Aliphatic homopolycyclic compounds Cyclic alcohols and derivatives Hydrocarbon derivatives Ketones Organic oxides Secondary alcohols Alcohol Aliphatic homopolycyclic compound Carbonyl group Cyclic alcohol Eremophilane sesquiterpenoid Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol logp 2.39 ALOGPS logs -2.98 ALOGPS solubility 2.48e-01 g/l ALOGPS logp 2.85 ChemAxon pka_strongest_acidic 14.76 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac 3-hydroxy-4,4a-dimethyl-6-(prop-1-en-2-yl)-decahydronaphthalen-1-one ChemAxon average_mass 236.3499 ChemAxon mono_mass 236.177630012 ChemAxon smiles CC1C(O)CC(=O)C2CCC(CC12C)C(C)=C ChemAxon formula C15H24O2 ChemAxon inchi InChI=1S/C15H24O2/c1-9(2)11-5-6-12-14(17)7-13(16)10(3)15(12,4)8-11/h10-13,16H,1,5-8H2,2-4H3 ChemAxon inchikey SNEXDCBPEIQRSH-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 68.71 ChemAxon polarizability 27.6 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 71580 Specdb::MsMs 71581 Specdb::MsMs 71582 Specdb::MsMs 130284 Specdb::MsMs 130285 Specdb::MsMs 130286 Specdb::MsMs 3605725 Specdb::MsMs 3605726 Specdb::MsMs 3605727 Specdb::MsMs 3605728 Specdb::MsMs 3605729 Specdb::MsMs 3605730 Green bell pepper Type 1 specific Capsicum annuum 4072 Italian sweet red pepper Type 1 specific Capsicum annuum 4072 Orange bell pepper Type 1 specific Capsicum annuum 4072 Pepper Type 1 specific Capsicum annuum 4072 Red bell pepper Type 1 specific Capsicum annuum 4072 Yellow bell pepper Type 1 specific Capsicum annuum 4072